2-(methylsulfanyl)ethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
2-(methylsulfanyl)ethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
2-(methylsulfanyl)ethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | C276-1122 |
| Compound Name: | 2-(methylsulfanyl)ethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 428.3 |
| Molecular Formula: | C17 H18 Br N O5 S |
| Smiles: | CC1=C(C(CC(N1)=O)c1cc2c(cc1[Br])OCO2)C(=O)OCCSC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5487 |
| logD: | 1.7497 |
| logSw: | -2.8348 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.603 |
| InChI Key: | XAZGKQBBFVFNPY-NSHDSACASA-N |